N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C12H13Cl3F2N2O2 — CID 75419422

IUPACN-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H12Cl2F2N2O2.ClH/c13-8-3-7(4-9(14)10(8)20-12(15)16)18-11(19)6-1-2-17-5-6;/h3-4,6,12,17H,1-2,5H2,(H,18,19);1H
InChIKeyDTRSVZLXYAHWSU-UHFFFAOYSA-N
MW361.60 g/mol
LogP3.56
Rot. Bonds4

About N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 75419422) has the molecular formula C12H13Cl3F2N2O2 and a molecular weight of 361.60 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID75419422
Molecular FormulaC12H13Cl3F2N2O2
Molecular Weight361.60 g/mol
Exact Mass360.00
IUPAC NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H12Cl2F2N2O2.ClH/c13-8-3-7(4-9(14)10(8)20-12(15)16)18-11(19)6-1-2-17-5-6;/h3-4,6,12,17H,1-2,5H2,(H,18,19);1H
InChIKeyDTRSVZLXYAHWSU-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 60928604
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81119285
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 75419422) is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNC1.
What is the InChIKey of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DTRSVZLXYAHWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F2N2O2.ClH/c13-8-3-7(4-9(14)10(8)20-12(15)16)18-11(19)6-1-2-17-5-6;/h3-4,6,12,17H,1-2,5H2,(H,18,19);1H.
What are the key properties of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 361.60 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 75419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).